Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKLIINENEQLVAETVSRRIIELVKE-KPAS----LICIAGGDTPLLTIEALIKANQAGEVDFSNTQFVGLDEWVGLGRETKGSCIQTLYDAFFDRLKNVSSEQICFFDGKATSLTDECARVDKFIDDRGGMDFILLGIGLNGHIGFNEPFVPVDVNCHVVELDDVTKRVMSKYFDTDLPLT--HGISLGMQQILAAKEIFLVATGEKKIDIVKQVVEKEPTVAIPATLVKDSNTMLVVDKIAASGVEA
2WU1 Chain:A ((1-217))
MRLIPLTTAEQVGKWAARHIVNRINAFKPTADRPFVLGLPTGGTPMTTYKALVEMHKAGQVSFKHVVTFNMDEYVGLPKEHPESYYSFMHRNFFDHV-DIPAENINLLNGNAPDIDAECRQYEEKIRSYGKIHLFMGGVGNDGHIAFNEPASSLASRTRIKTLTHDTRVANSRFFDNDVNQVPKYALTVGVGTLLDAEEVMILVLGSQKALALQAAVE-------------------------------
General information:
TITO was launched using:
RESULT:
Template:
2WU1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -152840 for 1603 contacts (-95.3/contact) +
2D Compatibility (PS) -22771 + (NN) -10971 + (LL) 2528
1D Compatibility (HY) -14000 + (ID) 2950
Total energy: -201004.0 ( -125.39 by residue)
QMean score : 0.616
(partial model without unconserved sides chains):
PDB file :
Tito_2WU1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-2WU1-query.scw
PDB file :
Tito_Scwrl_2WU1.pdb
: